3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid

C8H16N2O3 — CID 67506127

IUPAC3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid
SMILESNC1CN(C(=O)O)CC1CCCO
InChIInChI=1S/C8H16N2O3/c9-7-5-10(8(12)13)4-6(7)2-1-3-11/h6-7,11H,1-5,9H2,(H,12,13)
InChIKeyGTFBROOEQIFHCA-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.30
Rot. Bonds3

About 3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid

3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid (PubChem CID 67506127) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid
PubChem CID67506127
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid
SMILESNC1CN(C(=O)O)CC1CCCO
InChIInChI=1S/C8H16N2O3/c9-7-5-10(8(12)13)4-6(7)2-1-3-11/h6-7,11H,1-5,9H2,(H,12,13)
InChIKeyGTFBROOEQIFHCA-UHFFFAOYSA-N
XLogP-0.30
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid (CID 67506127) is 3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid is NC1CN(C(=O)O)CC1CCCO.
What is the InChIKey of 3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid?
The InChIKey is GTFBROOEQIFHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-7-5-10(8(12)13)4-6(7)2-1-3-11/h6-7,11H,1-5,9H2,(H,12,13).
What are the key properties of 3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid?
3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid has a molecular weight of 188.23 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67506127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).